ethyl 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate

Systemtic Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 1-(4-fluorophenyl)-6-nitro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-fluorophenyl)-6-nitro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-4-keto-6-nitro-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C22H21FN4O5 MolecularWeight: 440.424343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCNCC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)[N+](=O)[O-])N3CCNCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O5/c1-2-32-22(29)17-13-26(15-5-3-14(23)4-6-15)18-12-19(25-9-7-24-8-10-25)20(27(30)31)11-16(18)21(17)28/h3-6,11-13,24H,2,7-10H2,1H3